| CAS Number | 685565-18-8 |
| Catalog Number | AG00IBUT(AGN-PC-0TT0DH) |
| Chemical Name | tert-butyl 5-carbamoylisoindoline-2-carboxylate |
| IUPAC Name | tert-butyl 5-carbamoyl-1,3-dihydroisoindole-2-carboxylate |
| InChI | InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-7-10-5-4-9(12(15)17)6-11(10)8-16/h4-6H,7-8H2,1-3H3,(H2,15,17) |
| InChI Key | ALHOWQRUWZFEFO-UHFFFAOYSA-N |
| MDL Number | MFCD14635687 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)C(N)=O |
| Synonyms | tert-Butyl 5-carbamoylisoindoline-2-carboxylate,
685565-18-8,
SCHEMBL4232286,
ALHOWQRUWZFEFO-UHFFFAOYSA-N,
MFCD14635687,
ZINC167662755,
AS-44898,
N-t-Butoxycarbonyl-5-aminocarbonylisoindoline,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number